Spektraris NMR
Isopropilidenevaritriol
Common Name: Isopropilidenevaritriol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H24O5/c1-11-16-17(23-18(2,3)22-16)15(21-11)9-8-12-6-5-7-14(20-4)13(12)10-19/h5-9,11,15-17,19H,10H2,1-4H3/b9-8+/t11-,15+,16-,17+/m0/s1
InChIKey: InChIKey=VWBHJSCNRRFBFS-SCZBPKQMSA-N
Formula: C18H24O5
Molecular Weight: 320.380849
Exact Mass: 320.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Malmstrom, J., Christophersen, C., Barrero, A.F., Oltra, J.E., Justicia, J., Rosales, A. J Nat Prod (2002) 65, 364-7
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylmethanoids; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 126.5 |
| 2 (C) | 158.2 |
| 3 (CH) | 109.8 |
| 4 (CH) | 128.9 |
| 5 (CH) | 119.4 |
| 6 (C) | 137.4 |
| 7 (CH2) | 57 |
| 1' (CH) | 129.5 |
| 2' (CH) | 130.9 |
| 3' (CH) | 86.4 |
| 4' (CH) | 84.9 |
| 5' (CH) | 85.7 |
| 6' (CH) | 80.4 |
| 7' (CH3) | 19.2 |
| 1'' (C) | 115.2 |
| 2'' (CH3) | 27.5 |
| 3'' (CH3) | 25.6 |
| 2a (CH3) | 55.7 |
